MicroPoroChemoMechanics
A Julia ecosystem for the coupled chemo-mechanics of porous reactive media. Structured tensors, mean-field homogenisation, computational chemistry, and adaptive cubature algorithms — all integrated and registered in MPCM-Registry.
MicroPoroChemoMechanics is a collection of Julia packages for multiscale modelling of porous reactive materials — from molecular-level thermodynamic equilibrium to macroscopic poromechanical response. Every package is ForwardDiff-compatible, dimensionally aware via DynamicQuantities, and designed to compose cleanly with the SciML ecosystem.
All packages are registered in the dedicated MPCM-Registry and hosted on Codeberg.
Core packages
See individual package pages: TensND.jl and ChemistryLab.jl.
In development
MeanFieldHom.jl
Mean-field homogenisation framework for heterogeneous materials. Hill polarisation tensors for ellipsoidal inclusions and infinite cylinders, crack-opening-displacement tensors with stress and displacement intensity factors, second-order Hill tensors for transport problems, and layered-sphere composite models.
Currently in active development with full type-generic support (Float64, Complex, Dual, SymPy).
Backend packages
OptimaSolver.jl
Primal-dual interior-point solver for Gibbs-energy minimization with diagonal Hessian structure and implicit-differentiation sensitivity matrices. Serves as a core solver backend for ChemistryLab.jl equilibrium computations.
DECUHR.jl
Pure-Julia port of the DECUHR algorithm (Espelid & Genz, 1994) for automatic adaptive integration of functions with vertex singularities over hyper-rectangles. Exposed as a pluggable algorithm for the SciML Integrals.jl ecosystem.
